methyl 3-(4-cyclohexyl-1-ethanoyl-5-sulfanylidene-1,2,4-triazol-3-yl)naphthalene-2-carboxylate

Systemtic Name: methyl 3-(4-cyclohexyl-1-ethanoyl-5-sulfanylidene-1,2,4-triazol-3-yl)naphthalene-2-carboxylate Openeye Name: methyl 3-(1-acetyl-4-cyclohexyl-5-thioxo-1,2,4-triazol-3-yl)naphthalene-2-carboxylate CAS Name: 3-(1-acetyl-4-cyclohexyl-5-sulfanylidene-1,2,4-triazol-3-yl)-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-(1-acetyl-4-cyclohexyl-5-sulfanylidene-1,2,4-triazol-3-yl)naphthalene-2-carboxylate Traditional Name: 3-(1-acetyl-4-cyclohexyl-5-thioxo-1,2,4-triazol-3-yl)naphthalene-2-carboxylic acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=S)N(C(=N1)C2=CC3=CC=CC=C3C=C2C(=O)OC)C4CCCCC4

Isomeric SMILES

CC(=O)N1C(=S)N(C(=N1)C2=CC3=CC=CC=C3C=C2C(=O)OC)C4CCCCC4

InChI

InChI=1S/C22H23N3O3S/c1-14(26)25-22(29)24(17-10-4-3-5-11-17)20(23-25)18-12-15-8-6-7-9-16(15)13-19(18)21(27)28-2/h6-9,12-13,17H,3-5,10-11H2,1-2H3